Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129381
Preview
| Coordinates | 7129381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 Br F5 O2 S Si2 |
|---|---|
| Calculated formula | C10 H16 Br F5 O2 S Si2 |
| Title of publication | In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes |
| Authors of publication | Le, Thanh V.; Daugulis, Olafs |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 24.198 ± 0.0009 Å |
| b | 13.168 ± 0.0005 Å |
| c | 22.697 ± 0.0008 Å |
| α | 90° |
| β | 109.697 ± 0.002° |
| γ | 90° |
| Cell volume | 6809 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271446 (current) | 2021-12-16 | cif/ Adding structures of 7129381, 7129382, 7129383 via cif-deposit CGI script. |
7129381.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.